1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol

C14H33N3O — CID 106045494

IUPAC1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCCCN(C)C(C)C
InChIInChI=1S/C14H33N3O/c1-6-17(7-2)12-14(18)11-15-9-8-10-16(5)13(3)4/h13-15,18H,6-12H2,1-5H3
InChIKeyCNTDJMHKDQRATC-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.01
Rot. Bonds11

About 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol

1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol (PubChem CID 106045494) has the molecular formula C14H33N3O and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
PubChem CID106045494
Molecular FormulaC14H33N3O
Molecular Weight259.44 g/mol
Exact Mass259.26
IUPAC Name1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCCCN(C)C(C)C
InChIInChI=1S/C14H33N3O/c1-6-17(7-2)12-14(18)11-15-9-8-10-16(5)13(3)4/h13-15,18H,6-12H2,1-5H3
InChIKeyCNTDJMHKDQRATC-UHFFFAOYSA-N
XLogP1.01
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045815
1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045618
1-cyclopentyl-3-[4-[methyl(propan-2-yl)amino]butylamino]propan-2-ol
CID 103157622
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
CID 114184079

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol (CID 106045494) is 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol is CCN(CC)CC(O)CNCCCN(C)C(C)C.
What is the InChIKey of 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
The InChIKey is CNTDJMHKDQRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O/c1-6-17(7-2)12-14(18)11-15-9-8-10-16(5)13(3)4/h13-15,18H,6-12H2,1-5H3.
What are the key properties of 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol?
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol has a molecular weight of 259.44 g/mol, XLogP of 1.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol is sourced from PubChem (CID 106045494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).